4-(1-aminocyclopropyl)-5-chlorothiophene-2-carboxylic acid

C8H8ClNO2S — CID 90951225

IUPAC4-(1-aminocyclopropyl)-5-chlorothiophene-2-carboxylic acid
SMILESNC1(c2cc(C(=O)O)sc2Cl)CC1
InChIInChI=1S/C8H8ClNO2S/c9-6-4(8(10)1-2-8)3-5(13-6)7(11)12/h3H,1-2,10H2,(H,11,12)
InChIKeyBSCOYDSPJKISHF-UHFFFAOYSA-N
MW217.68 g/mol
LogP2.05
Rot. Bonds2

About 4-(1-aminocyclopropyl)-5-chlorothiophene-2-carboxylic acid

4-(1-aminocyclopropyl)-5-chlorothiophene-2-carboxylic acid (PubChem CID 90951225) has the molecular formula C8H8ClNO2S and a molecular weight of 217.68 g/mol. Its IUPAC name is 4-(1-aminocyclopropyl)-5-chlorothiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-aminocyclopropyl)-5-chlorothiophene-2-carboxylic acid
PubChem CID90951225
Molecular FormulaC8H8ClNO2S
Molecular Weight217.68 g/mol
Exact Mass217.00
IUPAC Name4-(1-aminocyclopropyl)-5-chlorothiophene-2-carboxylic acid
SMILESNC1(c2cc(C(=O)O)sc2Cl)CC1
InChIInChI=1S/C8H8ClNO2S/c9-6-4(8(10)1-2-8)3-5(13-6)7(11)12/h3H,1-2,10H2,(H,11,12)
InChIKeyBSCOYDSPJKISHF-UHFFFAOYSA-N
XLogP2.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.68
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopropyl)-5-chlorothiophene-2-carboxylic acid?
The IUPAC name of 4-(1-aminocyclopropyl)-5-chlorothiophene-2-carboxylic acid (CID 90951225) is 4-(1-aminocyclopropyl)-5-chlorothiophene-2-carboxylic acid.
What is the SMILES notation for 4-(1-aminocyclopropyl)-5-chlorothiophene-2-carboxylic acid?
The canonical SMILES for 4-(1-aminocyclopropyl)-5-chlorothiophene-2-carboxylic acid is NC1(c2cc(C(=O)O)sc2Cl)CC1.
What is the InChIKey of 4-(1-aminocyclopropyl)-5-chlorothiophene-2-carboxylic acid?
The InChIKey is BSCOYDSPJKISHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2S/c9-6-4(8(10)1-2-8)3-5(13-6)7(11)12/h3H,1-2,10H2,(H,11,12).
What are the key properties of 4-(1-aminocyclopropyl)-5-chlorothiophene-2-carboxylic acid?
4-(1-aminocyclopropyl)-5-chlorothiophene-2-carboxylic acid has a molecular weight of 217.68 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopropyl)-5-chlorothiophene-2-carboxylic acid is sourced from PubChem (CID 90951225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).